[4-oxidanyl-2-(6-sulfanylidene-3H-purin-9-yl)butoxy]methylphosphonic acid

Systemtic Name: [4-oxidanyl-2-(6-sulfanylidene-3H-purin-9-yl)butoxy]methylphosphonic acid Openeye Name: [4-hydroxy-2-(6-thioxo-3H-purin-9-yl)butoxy]methylphosphonic acid CAS Name: [4-hydroxy-2-(6-sulfanylidene-3H-purin-9-yl)butoxy]methylphosphonic acid IUPAC Name: [4-hydroxy-2-(6-sulfanylidene-3H-purin-9-yl)butoxy]methylphosphonic acid Traditional Name: [4-hydroxy-2-(6-thioxo-3H-purin-9-yl)butoxy]methylphosphonic acid Formula: C10H15N4O5PS MolecularWeight: 334.288661

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=S)C2=C(N1)N(C=N2)C(CCO)COCP(=O)(O)O

Isomeric SMILES

C1=NC(=S)C2=C(N1)N(C=N2)C(CCO)COCP(=O)(O)O

InChI

InChI=1S/C10H15N4O5PS/c15-2-1-7(3-19-6-20(16,17)18)14-5-13-8-9(14)11-4-12-10(8)21/h4-5,7,15H,1-3,6H2,(H,11,12,21)(H2,16,17,18)